(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone

C19H28N2O — CID 50949896

IUPAC(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CCN(C)C3)CC2)c(C)c1
InChIInChI=1S/C19H28N2O/c1-14-11-15(2)17(16(3)12-14)18(22)21-9-6-19(7-10-21)5-8-20(4)13-19/h11-12H,5-10,13H2,1-4H3
InChIKeyGIUPQVLNRMTFFL-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.17
Rot. Bonds1

About (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 50949896) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID50949896
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CCN(C)C3)CC2)c(C)c1
InChIInChI=1S/C19H28N2O/c1-14-11-15(2)17(16(3)12-14)18(22)21-9-6-19(7-10-21)5-8-20(4)13-19/h11-12H,5-10,13H2,1-4H3
InChIKeyGIUPQVLNRMTFFL-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800217
methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264
(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684380
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806225
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone (CID 50949896) is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CCC3(CCN(C)C3)CC2)c(C)c1.
What is the InChIKey of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GIUPQVLNRMTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-11-15(2)17(16(3)12-14)18(22)21-9-6-19(7-10-21)5-8-20(4)13-19/h11-12H,5-10,13H2,1-4H3.
What are the key properties of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone?
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 50949896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).